1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea

C15H20N4O — CID 51100264

IUPAC1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCCCN(C)C(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-3-10-18(2)15(20)16-12-13-5-7-14(8-6-13)19-11-4-9-17-19/h4-9,11H,3,10,12H2,1-2H3,(H,16,20)
InChIKeyHIMZBXPVJYLFHR-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.42
Rot. Bonds5

About 1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea

1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 51100264) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
PubChem CID51100264
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCCCN(C)C(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-3-10-18(2)15(20)16-12-13-5-7-14(8-6-13)19-11-4-9-17-19/h4-9,11H,3,10,12H2,1-2H3,(H,16,20)
InChIKeyHIMZBXPVJYLFHR-UHFFFAOYSA-N
XLogP2.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242726
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242725
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55809055
1-ethyl-1-(2-methylprop-2-enyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 122157666
1-[3-(N-methylanilino)propyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55769843
1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 95152415
3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 61010480
2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid
CID 61006750
ethyl 4-[N'-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111162764
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 119725281
2-[benzenesulfonyl(methyl)amino]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55711130

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea (CID 51100264) is 1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea is CCCN(C)C(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is HIMZBXPVJYLFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-10-18(2)15(20)16-12-13-5-7-14(8-6-13)19-11-4-9-17-19/h4-9,11H,3,10,12H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 272.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 51100264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).